diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate

Systemtic Name: diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylene]-3-oxo-butanedioate CAS Name: 2-[[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]methylidene]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]-3-oxobutanedioate Traditional Name: 2-[[(2,6-diethylphenyl)thiocarbamoylamino]methylene]-3-keto-succinic acid diethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C(=O)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C(=O)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H26N2O5S/c1-5-13-10-9-11-14(6-2)16(13)22-20(28)21-12-15(18(24)26-7-3)17(23)19(25)27-8-4/h9-12H,5-8H2,1-4H3,(H2,21,22,28)